Geometry & MOs

Info

ID:	372649
PubChem CID:	131301582
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	145.085127
ΔH_f, kcal/mol:	49.76
Dipole, Da:	6.77
IP(EA), eV:	-7.95(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-4-hydroxypyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(C2=CC(=CC(=C12)N)C#N)C)C

DOS

IR

Vibrations